Voigtmann, Thomas and Horbach, Jürgen (2008) The Dynamics of Silica Melts under High Pressure: Mode-Coupling Theory Results. Journal of Physics - Condensed Matter, 20, 244117/1-244117/7. doi: 10.1088/0953-8984/20/24/244117.
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Abstract
The high-pressure dynamics of a computer-modeled silica melt is studied in the framework of the mode-coupling theory of the glass transition (MCT) using static-structure input from molecular-dynamics (MD) computer simulation. The theory reproduces the experimentally known viscosity minimum (diffusivity maximum) as a function of density or pressure and explains it in terms of a corresponding minimum in its critical temperature. This minimum arises from a gradual change in the equilibrium static structure which shifts from being dominated by tetrahedral ordering to showing the cageing known from high-density liquids. The theory is in qualitative agreement with computer simulation results.
Item URL in elib: | https://elib.dlr.de/54149/ | ||||||||||||
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Document Type: | Article | ||||||||||||
Title: | The Dynamics of Silica Melts under High Pressure: Mode-Coupling Theory Results | ||||||||||||
Authors: |
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Date: | 2008 | ||||||||||||
Journal or Publication Title: | Journal of Physics - Condensed Matter | ||||||||||||
Refereed publication: | Yes | ||||||||||||
Open Access: | No | ||||||||||||
Gold Open Access: | No | ||||||||||||
In SCOPUS: | No | ||||||||||||
In ISI Web of Science: | Yes | ||||||||||||
Volume: | 20 | ||||||||||||
DOI: | 10.1088/0953-8984/20/24/244117 | ||||||||||||
Page Range: | 244117/1-244117/7 | ||||||||||||
Status: | Published | ||||||||||||
Keywords: | mode coupling theory, silica at high pressure, molecular dynamics computer simulation | ||||||||||||
HGF - Research field: | Aeronautics, Space and Transport (old) | ||||||||||||
HGF - Program: | Space (old) | ||||||||||||
HGF - Program Themes: | W FR - Forschung unter Weltraumbedingungen (old) | ||||||||||||
DLR - Research area: | Space | ||||||||||||
DLR - Program: | W FR - Forschung unter Weltraumbedingungen | ||||||||||||
DLR - Research theme (Project): | W - Vorhaben Materialwissenschaftliche Forschung (old) | ||||||||||||
Location: | Köln-Porz | ||||||||||||
Institutes and Institutions: | Institute of Materials Physics in Space | ||||||||||||
Deposited By: | Horbach, Dr.rer.nat. Jürgen | ||||||||||||
Deposited On: | 21 Oct 2008 | ||||||||||||
Last Modified: | 27 Apr 2009 14:57 |
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